3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide

C15H17N5 — CID 62684204

IUPAC3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1c2ccccc2CCC1C
InChIInChI=1S/C15H17N5/c1-10-6-7-11-4-2-3-5-12(11)20(10)15-13(14(16)17)18-8-9-19-15/h2-5,8-10H,6-7H2,1H3,(H3,16,17)
InChIKeyDJXFFYGOWCWIJR-UHFFFAOYSA-N
MW267.34 g/mol
LogP2.23
Rot. Bonds2

About 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide

3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide (PubChem CID 62684204) has the molecular formula C15H17N5 and a molecular weight of 267.34 g/mol. Its IUPAC name is 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide.

Molecular Properties

Compound Name3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide
PubChem CID62684204
Molecular FormulaC15H17N5
Molecular Weight267.34 g/mol
Exact Mass267.15
IUPAC Name3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide
SMILES[H]/N=C(\N)c1nccnc1N1c2ccccc2CCC1C
InChIInChI=1S/C15H17N5/c1-10-6-7-11-4-2-3-5-12(11)20(10)15-13(14(16)17)18-8-9-19-15/h2-5,8-10H,6-7H2,1H3,(H3,16,17)
InChIKeyDJXFFYGOWCWIJR-UHFFFAOYSA-N
XLogP2.23
TPSA78.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide?
The IUPAC name of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide (CID 62684204) is 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide.
What is the SMILES notation for 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide?
The canonical SMILES for 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide is [H]/N=C(\N)c1nccnc1N1c2ccccc2CCC1C.
What is the InChIKey of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide?
The InChIKey is DJXFFYGOWCWIJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5/c1-10-6-7-11-4-2-3-5-12(11)20(10)15-13(14(16)17)18-8-9-19-15/h2-5,8-10H,6-7H2,1H3,(H3,16,17).
What are the key properties of 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide?
3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide has a molecular weight of 267.34 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrazine-2-carboximidamide is sourced from PubChem (CID 62684204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).